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Structure

3,7-Dimethyloct-6-en-2-yl propionate

CAS
97889-96-8
Catalog Number
ACM97889968
Category
Other Products
Molecular Weight
212.328460 [g/mol]
Molecular Formula
C13H24O2

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Specification

Synonyms
3,7-Dimethyloct-6-en-2-yl propionate, EINECS 308-175-8, CID113423, 97889-96-8
IUPAC Name
3,7-dimethyloct-6-en-2-yl propanoate
Canonical SMILES
CCC(=O)OC(C)C(C)CCC=C(C)C
InChI Key
PVOXDQPDUIZDLB-UHFFFAOYSA-N
Boiling Point
271.9ºC at 760mmHg
Flash Point
87.5ºC
Density
0.881g/cm³
EC Number
308-175-8
Exact Mass
212.17800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3,7-Dimethyloct-6-en-2-yl propionate?

The molecular formula is C13H24O2.

When was the structure of 3,7-Dimethyloct-6-en-2-yl propionate created and modified?

The structure was created on 2005-08-08 and modified on 2023-12-30.

What is the IUPAC name of 3,7-Dimethyloct-6-en-2-yl propionate?

The IUPAC name is 3,7-dimethyloct-6-en-2-yl propanoate.

What is the InChI of 3,7-Dimethyloct-6-en-2-yl propionate?

The InChI is InChI=1S/C13H24O2/c1-6-13(14)15-12(5)11(4)9-7-8-10(2)3/h8,11-12H,6-7,9H2,1-5H3.

What is the InChIKey of 3,7-Dimethyloct-6-en-2-yl propionate?

The InChIKey is PVOXDQPDUIZDLB-UHFFFAOYSA-N.

How many rotatable bonds are there in 3,7-Dimethyloct-6-en-2-yl propionate?

There are 7 rotatable bonds.

What is the exact mass of 3,7-Dimethyloct-6-en-2-yl propionate?

The exact mass is 212.177630004 g/mol.

How many hydrogen bond acceptors are there in 3,7-Dimethyloct-6-en-2-yl propionate?

There are 2 hydrogen bond acceptors.

Is 3,7-Dimethyloct-6-en-2-yl propionate a canonicalized compound?

Yes, it is a canonicalized compound.

How many defined atom stereocenters are there in 3,7-Dimethyloct-6-en-2-yl propionate?

There are 0 defined atom stereocenters.

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